CID 59371

C 3253

Structural Information

Molecular Formula
C17H28ClN3O
SMILES
CCN(CC)CCN(CC)CC(=O)NC1=C(C=CC=C1Cl)C
InChI
InChI=1S/C17H28ClN3O/c1-5-20(6-2)11-12-21(7-3)13-16(22)19-17-14(4)9-8-10-15(17)18/h8-10H,5-7,11-13H2,1-4H3,(H,19,22)
InChIKey
BATJPLHXUREPJD-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-ethylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.19208 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.19936 183.3
[M+Na]+ 348.18130 187.7
[M-H]- 324.18480 188.8
[M+NH4]+ 343.22590 199.0
[M+K]+ 364.15524 185.0
[M+H-H2O]+ 308.18934 175.8
[M+HCOO]- 370.19028 204.1
[M+CH3COO]- 384.20593 224.4
[M+Na-2H]- 346.16675 183.2
[M]+ 325.19153 189.3
[M]- 325.19263 189.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.